Geometry & MOs

Info

ID:

117658

PubChem CID:

50609649

Reduced:

Cl2O5N6C33H44 (1)

Stoich.:

A2B5C6D33E44 (1)

Weight, g/mol:

700.313996

ΔHf, kcal/mol:

-229.95

Dipole, Da:

6.64

IP(EA), eV:

 -8.91(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-5-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC(C)C)Cl)Cl

DOS

IR

Vibrations